1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol

C12H25NO3 — CID 106941145

IUPAC1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)COC1CNCCC1C
InChIInChI=1S/C12H25NO3/c1-9(2)15-7-11(14)8-16-12-6-13-5-4-10(12)3/h9-14H,4-8H2,1-3H3
InChIKeySYSIOWPEXYYYEJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.79
Rot. Bonds6

About 1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol

1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol (PubChem CID 106941145) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol
PubChem CID106941145
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)COC1CNCCC1C
InChIInChI=1S/C12H25NO3/c1-9(2)15-7-11(14)8-16-12-6-13-5-4-10(12)3/h9-14H,4-8H2,1-3H3
InChIKeySYSIOWPEXYYYEJ-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol
CID 106940494
1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
CID 104680602
1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol
CID 63990099
2-[2-(4-methylpiperidin-3-yl)oxyethoxy]ethanol
CID 106939216
4-methyl-3-[(5-methyloxolan-2-yl)methoxy]piperidine
CID 103135750
1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol
CID 106991198
3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine
CID 102954054
4-methyl-3-octoxypiperidine
CID 102954063
3-hept-6-enoxy-4-methylpiperidine
CID 107007754
N-(4-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602525
(4-methylpiperidin-3-yl) N-propan-2-ylcarbamate
CID 102954801
4-methyl-3-phenylmethoxypiperidine
CID 102954119

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol (CID 106941145) is 1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)COC1CNCCC1C.
What is the InChIKey of 1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol?
The InChIKey is SYSIOWPEXYYYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)15-7-11(14)8-16-12-6-13-5-4-10(12)3/h9-14H,4-8H2,1-3H3.
What are the key properties of 1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol?
1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 106941145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).